Chemical ID: 7143311

COc1ccc(c(c1)OC)NC2=NC(=O)C(=Cc3ccc(cc3)OCC=C)S2
Chemical ID:
7143311
Name [?]:
5-[(4-allyloxyphenyl)methylene]-2-(2,4-dimethoxyphenyl)amino-thiazol-4-one
SMILES [?]:
COc1ccc(c(c1)OC)NC2=NC(=O)C(=Cc3ccc(cc3)OCC=C)S2
InChi [?]:
InChI=1/C21H20N2O4S/c1-4-11-27-15-7-5-14(6-8-15)12-19-20(24)23-21(28-19)22-17-10-9-16(25-2)13-18(17)26-3/h4-10,12-13H,1,11H2,2-3H3,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:27,1,10,26,19,23,20,22,4,5,25,17,8,18,21,3,6,7,16,14,12,11,13,15,2,9,24,28/E:(5,6)(7,8)/rA:28nCOCCCCCCOCNCNCOCCCCCCCCOCCCS/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;s11;d12;s13;d14;s14;w16;s17;s18;d19;s20;d21;d18s22;s21;s24;s25;d26;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H20N2O4S
All Atoms:48
Heavy Atoms:28
Chiral Atoms:None
ZAP Information [?]
Total:10.6523
Area:634.266
Solvation:-5.20434
Coulombic:-53.0573
Bond Count [?]
All:30
Single:20
Double:10
Rotors:8
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.71
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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